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A 3-D bonding perspective of the factors influencing the relative stability of the S-1/S-0 conical intersections of the penta-2,4-dieniminium cation (PSB3) File

Bin, Xin , Momen, Roya , Xu, Tianlv , Kirk, Steven R. , Filatov, Michael , Jenkins, Samantha

Article Issue Date2019-06 View5

Description of ground and excited electronic states by ensemble density functional method with extended active space File

Filatov, Michael , Martínez, Todd J. , Kim, Kwang S.

Article Issue Date2017-08 View4

Design, Synthesis, and Dynamics of a Green Fluorescent Protein Fluorophore Mimic with an Ultrafast Switching Function File

Paolino, Marco , Gueye, Moussa , Pieri, Elisa , Manathunga, Madushanka , Fusi, Srefania , Cappelli, Andrea , Latterini, Loredana , Pannacci, Danilo , Filatov, Michael , Leonard, Jeremie , et al

Article Issue Date2016-08 View4

Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation File

Filatov, Michael , Min, Seung Kyu , Kim, Kwang S.

Article Issue Date2018-09 View7

Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed- reference (MR) reduced density matrix File

Lee, Seunghoon , Filatov, Michael , Lee, Sangyoub , Choi, Cheol Ho

Article Issue Date2018-09 View2

Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn-Sham Method in the Context of the Density Functional Tight Binding Approach File

Lee, In Seong , Filatov, Michael , Min, Seung Kyu

Article Issue Date2019-05 View4

Generalized Formulation of the Density Functional Tight Binding-Based Restricted Ensemble Kohn-Sham Method with Onsite Correction to Long-Range Correction File

Lee, In Seong , Min, Seung Kyu

Article Issue Date2022-06 View7

High Temperature Accelerated Stone-Wales Transformation and the Threshold Temperature of IPR-C-60 Formation File

Mitchell, Izaac , Qiu, Lu , Lamb, Lowell D. , Ding, Feng

Article Issue Date2021-06 View6

Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study File

Kwon, Soonchul , Lee, Seung Geol

Article Issue Date2015-09 View5

Non-adiabatic dynamics of ring opening in cyclohexa-1,3-diene described by an ensemble density-functional theory method File

Filatov, Michael , Min, Seung Kyu , Kim, Kwang S.

Article Issue Date2019-06 View5

Relaxation kinetics on the first excited singlet state of SO2 from time resolved emission spectra File

Bae, SC , Kim, GH , Ku, JK

Article Issue Date1997-02 View4

The effect of vibrationally excited levels on the pressure saturation of the collisional quenching of the B-3(1) state of SO2

Bae, SC , Lee, SR , Ku, JK

Article Issue Date1996-01 View4

Using the GVB: Ansatz to develop ensemble DFT method for describing multiple strongly correlated electron pairs File

Filatov, Michael , Martinez, Todd J. , Kim, Kwang S.

Article Issue Date2016-08 View5

VIBRATIONAL-RELAXATION IN THE B-3(1) STATE OF SO2 File

Bae, Sung Chul , Lee, K , Kim, GH , Ku, JK

Article Issue Date1995-01 View0

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